4-chloro-6-ethyl-N,N-dipropylthieno[2,3-d]pyrimidin-2-amine

C14H20ClN3S — CID 82309139

IUPAC4-chloro-6-ethyl-N,N-dipropylthieno[2,3-d]pyrimidin-2-amine
SMILESCCCN(CCC)c1nc(Cl)c2cc(CC)sc2n1
InChIInChI=1S/C14H20ClN3S/c1-4-7-18(8-5-2)14-16-12(15)11-9-10(6-3)19-13(11)17-14/h9H,4-8H2,1-3H3
InChIKeyFDGGYFANSRMJQQ-UHFFFAOYSA-N
MW297.86 g/mol
LogP4.53
Rot. Bonds6

About 4-chloro-6-ethyl-N,N-dipropylthieno[2,3-d]pyrimidin-2-amine

4-chloro-6-ethyl-N,N-dipropylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 82309139) has the molecular formula C14H20ClN3S and a molecular weight of 297.86 g/mol. Its IUPAC name is 4-chloro-6-ethyl-N,N-dipropylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-ethyl-N,N-dipropylthieno[2,3-d]pyrimidin-2-amine
PubChem CID82309139
Molecular FormulaC14H20ClN3S
Molecular Weight297.86 g/mol
Exact Mass297.11
IUPAC Name4-chloro-6-ethyl-N,N-dipropylthieno[2,3-d]pyrimidin-2-amine
SMILESCCCN(CCC)c1nc(Cl)c2cc(CC)sc2n1
InChIInChI=1S/C14H20ClN3S/c1-4-7-18(8-5-2)14-16-12(15)11-9-10(6-3)19-13(11)17-14/h9H,4-8H2,1-3H3
InChIKeyFDGGYFANSRMJQQ-UHFFFAOYSA-N
XLogP4.53
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.86
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N,N-dimethyl-6-propylthieno[2,3-d]pyrimidin-2-amine
CID 82309241
N'-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 103321374
6-ethyl-2-hydrazinyl-N,N-dipropylthieno[2,3-d]pyrimidin-4-amine
CID 103335029
2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-propylamino]ethanol
CID 103325630
4-chloro-2-(2,5-difluorophenyl)-6-ethylthieno[2,3-d]pyrimidine
CID 63663426
N-butyl-4-chloro-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 82309246
2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propylamino]ethanol
CID 103325635
4-chloro-6-ethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine
CID 65144576
2-(2-bromo-3,4-difluorophenyl)-4-chloro-6-ethylthieno[2,3-d]pyrimidine
CID 107532954
4-chloro-6-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidine
CID 55249726
2-chloro-6-ethyl-N,N-bis(trideuteriomethyl)thieno[2,3-d]pyrimidin-4-amine
CID 169436107
4-chloro-6-ethyl-N-(2-fluorophenyl)thieno[2,3-d]pyrimidin-2-amine
CID 95528672

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethyl-N,N-dipropylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-ethyl-N,N-dipropylthieno[2,3-d]pyrimidin-2-amine (CID 82309139) is 4-chloro-6-ethyl-N,N-dipropylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-ethyl-N,N-dipropylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-ethyl-N,N-dipropylthieno[2,3-d]pyrimidin-2-amine is CCCN(CCC)c1nc(Cl)c2cc(CC)sc2n1.
What is the InChIKey of 4-chloro-6-ethyl-N,N-dipropylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is FDGGYFANSRMJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3S/c1-4-7-18(8-5-2)14-16-12(15)11-9-10(6-3)19-13(11)17-14/h9H,4-8H2,1-3H3.
What are the key properties of 4-chloro-6-ethyl-N,N-dipropylthieno[2,3-d]pyrimidin-2-amine?
4-chloro-6-ethyl-N,N-dipropylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 297.86 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-N,N-dipropylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 82309139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).